(3S)-N-[(5-methylthiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(5-methylthiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropyl-4-piperidyl)-N-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(5-methyl-2-thiophenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(5-methylthiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropyl-4-piperidyl)-N-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-carboxamide Formula: C20H34N3OS+ MolecularWeight: 364.56846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CNC(=O)C2CCC[NH+](C2)C3CCN(CC3)C(C)C

Isomeric SMILES

CC1=CC=C(S1)CNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(C)C

InChI

InChI=1S/C20H33N3OS/c1-15(2)22-11-8-18(9-12-22)23-10-4-5-17(14-23)20(24)21-13-19-7-6-16(3)25-19/h6-7,15,17-18H,4-5,8-14H2,1-3H3,(H,21,24)/p+1/t17-/m0/s1