(4S)-2-[(4-chlorophenyl)amino]-4-(4-phenylpiperazin-1-ium-1-yl)cyclopent-2-en-1-one

Systemtic Name: (4S)-2-[(4-chlorophenyl)amino]-4-(4-phenylpiperazin-1-ium-1-yl)cyclopent-2-en-1-one Openeye Name: (4S)-2-(4-chloroanilino)-4-(4-phenylpiperazin-1-ium-1-yl)cyclopent-2-en-1-one CAS Name: (4S)-2-(4-chloroanilino)-4-(4-phenyl-1-piperazin-1-iumyl)-1-cyclopent-2-enone IUPAC Name: (4S)-2-(4-chloroanilino)-4-(4-phenylpiperazin-1-ium-1-yl)cyclopent-2-en-1-one Traditional Name: (4S)-2-(4-chloroanilino)-4-(4-phenylpiperazin-1-ium-1-yl)cyclopent-2-en-1-one Formula: C21H23ClN3O+ MolecularWeight: 368.87982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)C(=C2)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)C(=C2)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O/c22-16-6-8-17(9-7-16)23-20-14-19(15-21(20)26)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h1-9,14,19,23H,10-13,15H2/p+1/t19-/m1/s1