N-(3-chloranyl-2-methyl-phenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C21H28ClN3O+2 MolecularWeight: 373.91952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O/c1-17-19(22)8-5-9-20(17)23-21(26)10-11-24-12-14-25(15-13-24)16-18-6-3-2-4-7-18/h2-9H,10-16H2,1H3,(H,23,26)/p+2