1-benzothiophen-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-ethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]ammonium Formula: C23H37N3S+2 MolecularWeight: 387.62498

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H35N3S/c1-3-25(18-22-16-20-6-4-5-7-23(20)27-22)17-19-8-14-26(15-9-19)21-10-12-24(2)13-11-21/h4-7,16,19,21H,3,8-15,17-18H2,1-2H3/p+2