(phenylmethyl) 1-[2-[3-carbamimidoyl-4-(4-cycloheptyloxycarbonylphenyl)phenyl]ethanoyl]piperidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-[3-carbamimidoyl-4-(4-cycloheptyloxycarbonylphenyl)phenyl]ethanoyl]piperidin-1-ium-1-carboxylate Openeye Name: benzyl 1-[2-[3-carbamimidoyl-4-[4-(cycloheptoxycarbonyl)phenyl]phenyl]acetyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[2-[3-carbamimidoyl-4-[4-[cycloheptyloxy(oxo)methyl]phenyl]phenyl]-1-oxoethyl]-1-piperidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-[3-carbamimidoyl-4-(4-cycloheptyloxycarbonylphenyl)phenyl]acetyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[2-[3-amidino-4-[4-(cycloheptoxycarbonyl)phenyl]phenyl]acetyl]piperidin-1-ium-1-carboxylic acid benzyl ester Formula: C36H42N3O5+ MolecularWeight: 596.73578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CC(=O)[N+]4(CCCCC4)C(=O)OCC5=CC=CC=C5)C(=N)N

Isomeric SMILES

C1CCCC(CC1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CC(=O)[N+]4(CCCCC4)C(=O)OCC5=CC=CC=C5)C(=N)N

InChI

InChI=1S/C36H42N3O5/c37-34(38)32-23-27(24-33(40)39(21-9-4-10-22-39)36(42)43-25-26-11-5-3-6-12-26)15-20-31(32)28-16-18-29(19-17-28)35(41)44-30-13-7-1-2-8-14-30/h3,5-6,11-12,15-20,23,30H,1-2,4,7-10,13-14,21-22,24-25H2,(H3,37,38)/q+1