3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]propanamide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]propanamide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-[5-(1-piperidyl)-2-thienyl]methyleneamino]propanamide CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)-N-[(Z)-[5-(1-piperidinyl)-2-thiophenyl]methylideneamino]propanamide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]propanamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(5-piperidino-2-thienyl)methyleneamino]propionamide Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(S2)C=NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(S2)/C=N\NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N5OS/c29-22(11-14-26-15-17-27(18-16-26)20-7-3-1-4-8-20)25-24-19-21-9-10-23(30-21)28-12-5-2-6-13-28/h1,3-4,7-10,19H,2,5-6,11-18H2,(H,25,29)/p+1/b24-19-