N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(E)-(3-methyl-1-cyclopent-2-enylidene)amino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)CC1

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O/c1-16-7-8-17(15-16)20-21-19(24)9-10-22-11-13-23(14-12-22)18-5-3-2-4-6-18/h2-6,15H,7-14H2,1H3,(H,21,24)/p+1/b20-17+