N-(3,4-dimethylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3,4-dimethylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3,4-dimethylphenyl)propanamide CAS Name: N-(3,4-dimethylphenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3,4-dimethylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3,4-dimethylphenyl)propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O/c1-18-8-9-21(16-19(18)2)23-22(26)10-11-24-12-14-25(15-13-24)17-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)/p+1