1-benzothiophen-2-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: 1-benzothiophen-2-yl-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N3O2S/c1-30-22-10-4-3-9-21(22)27-15-13-26(14-16-27)20-8-6-12-28(18-20)25(29)24-17-19-7-2-5-11-23(19)31-24/h2-5,7,9-11,17,20H,6,8,12-16,18H2,1H3/p+1/t20-/m0/s1