[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[1-(3-thenyl)piperidin-1-ium-4-yl]methanone Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CSC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CSC=C4)C

InChI

InChI=1S/C23H31N3OS/c1-18-4-3-5-22(19(18)2)25-11-13-26(14-12-25)23(27)21-6-9-24(10-7-21)16-20-8-15-28-17-20/h3-5,8,15,17,21H,6-7,9-14,16H2,1-2H3/p+1