2-chloranyl-N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 2-chloranyl-N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 2-chloro-N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 2-chloro-N-[3-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 2-chloro-N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 2-chloro-N-[3-keto-3-(4-p-anisylpiperazin-4-ium-1-yl)propyl]benzamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O3/c1-29-18-8-6-17(7-9-18)16-25-12-14-26(15-13-25)21(27)10-11-24-22(28)19-4-2-3-5-20(19)23/h2-9H,10-16H2,1H3,(H,24,28)/p+1