(3S)-N-(3-methylbutyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-methylbutyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isopentyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-methylbutyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(3-methylbutyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isoamyl-piperidin-1-ium-3-carboxamide Formula: C23H39N3O+2 MolecularWeight: 373.57526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H37N3O/c1-19(2)10-13-24-23(27)21-9-6-14-26(18-21)22-11-15-25(16-12-22)17-20-7-4-3-5-8-20/h3-5,7-8,19,21-22H,6,9-18H2,1-2H3,(H,24,27)/p+2/t21-/m0/s1