[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-3-yl-methanone

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-3-yl-methanone Openeye Name: [(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-(3-thienyl)methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(3-thiophenyl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-3-ylmethanone Traditional Name: [(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]-(3-thienyl)methanone Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CSC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CSC=C4

InChI

InChI=1S/C21H27N3OS/c1-17-5-2-3-7-20(17)23-12-10-22(11-13-23)19-6-4-9-24(15-19)21(25)18-8-14-26-16-18/h2-3,5,7-8,14,16,19H,4,6,9-13,15H2,1H3/p+1/t19-/m0/s1