N-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]-4-methoxy-benzamide

Systemtic Name: N-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]-4-methoxy-benzamide Openeye Name: N-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]-4-methoxy-benzamide CAS Name: N-[4-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]butyl]-4-methoxybenzamide IUPAC Name: N-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]-4-methoxybenzamide Traditional Name: N-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]-4-methoxy-benzamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCCCC[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCCCC[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O2/c1-28-21-9-7-18(8-10-21)22(27)24-11-2-3-12-25-13-15-26(16-14-25)20-6-4-5-19(23)17-20/h4-10,17H,2-3,11-16H2,1H3,(H,24,27)/p+1