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

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-propan-2-yl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-propan-2-yl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-propan-2-ylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isopropyl-piperidin-1-ium-3-carboxamide Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O/c1-17(2)22-21(25)19-9-6-12-24(16-19)20-10-13-23(14-11-20)15-18-7-4-3-5-8-18/h3-5,7-8,17,19-20H,6,9-16H2,1-2H3,(H,22,25)/p+2/t19-/m0/s1