N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3O3/c21-16-4-2-15(3-5-16)13-23-8-1-9-24(11-10-23)20(25)22-17-6-7-18-19(12-17)27-14-26-18/h2-7,12H,1,8-11,13-14H2,(H,22,25)/p+1