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

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-4-(2-thienyl)butan-1-one Formula: C24H34N3O2S+ MolecularWeight: 428.61066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C24H33N3O2S/c1-29-23-11-3-2-10-22(23)26-16-14-25(15-17-26)20-7-5-13-27(19-20)24(28)12-4-8-21-9-6-18-30-21/h2-3,6,9-11,18,20H,4-5,7-8,12-17,19H2,1H3/p+1/t20-/m0/s1