(4-phenylpiperazin-1-yl)-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-phenylpiperazino)-[1-(3-thenyl)piperidin-1-ium-4-yl]methanone Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CSC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C21H27N3OS/c25-21(19-6-9-22(10-7-19)16-18-8-15-26-17-18)24-13-11-23(12-14-24)20-4-2-1-3-5-20/h1-5,8,15,17,19H,6-7,9-14,16H2/p+1