2-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-1,2-diethyl-4-piperazin-1-yl-piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-1,2-diethyl-4-piperazin-1-yl-piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-(2-carbamimidoyl-4-hydroxy-phenyl)-1,2-diethyl-4-piperazin-1-yl-3-piperidyl]acetic acid CAS Name: 2-[4-(2-carbamimidoyl-4-hydroxyphenyl)-1,2-diethyl-4-(1-piperazinyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[4-(2-carbamimidoyl-4-hydroxyphenyl)-1,2-diethyl-4-piperazin-1-ylpiperidin-3-yl]acetic acid Traditional Name: 2-[4-(2-amidino-4-hydroxy-phenyl)-1,2-diethyl-4-piperazino-3-piperidyl]acetic acid Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CCN1CC)(C2=C(C=C(C=C2)O)C(=N)N)N3CCNCC3)CC(=O)O

Isomeric SMILES

CCC1C(C(CCN1CC)(C2=C(C=C(C=C2)O)C(=N)N)N3CCNCC3)CC(=O)O

InChI

InChI=1S/C22H35N5O3/c1-3-19-18(14-20(29)30)22(7-10-26(19)4-2,27-11-8-25-9-12-27)17-6-5-15(28)13-16(17)21(23)24/h5-6,13,18-19,25,28H,3-4,7-12,14H2,1-2H3,(H3,23,24)(H,29,30)