(3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-methyl-4-piperidin-1-iumyl)-N-(2-pyridin-4-ylethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C19H32N4O+2 MolecularWeight: 332.48358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CC=NC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C19H30N4O/c1-22-13-7-18(8-14-22)23-12-2-3-17(15-23)19(24)21-11-6-16-4-9-20-10-5-16/h4-5,9-10,17-18H,2-3,6-8,11-15H2,1H3,(H,21,24)/p+2/t17-/m0/s1