1-(3-chlorophenyl)-4-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C21H29ClN3S+ MolecularWeight: 390.99306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H28ClN3S/c1-17-7-8-21(26-17)16-23-9-3-6-20(15-23)25-12-10-24(11-13-25)19-5-2-4-18(22)14-19/h2,4-5,7-8,14,20H,3,6,9-13,15-16H2,1H3/p+1/t20-/m0/s1