1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-(2-thienyl)propan-1-one CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-(2-thienyl)propan-1-one Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCC4=CC=CS4

InChI

InChI=1S/C23H31N3O2S/c1-28-21-8-6-19(7-9-21)24-13-15-25(16-14-24)20-4-2-12-26(18-20)23(27)11-10-22-5-3-17-29-22/h3,5-9,17,20H,2,4,10-16,18H2,1H3/p+1/t20-/m0/s1