(3S)-N-[2-(2-methylphenyl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(2-methylphenyl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-[2-(o-tolyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(2-methylphenyl)ethyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(2-methylphenyl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-[2-(o-tolyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C23H39N3O+2 MolecularWeight: 373.57526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C23H37N3O/c1-18(2)25-15-11-22(12-16-25)26-14-6-9-21(17-26)23(27)24-13-10-20-8-5-4-7-19(20)3/h4-5,7-8,18,21-22H,6,9-17H2,1-3H3,(H,24,27)/p+2/t21-/m0/s1