(3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-methyl-4-piperidin-1-iumyl)-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C19H31N3O+2 MolecularWeight: 317.46894

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C19H29N3O/c1-21-12-9-18(10-13-21)22-11-5-8-17(15-22)19(23)20-14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3,(H,20,23)/p+2/t17-/m0/s1