(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methyl-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methyl-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-indan-2-yl-4-piperidyl)-N-isobutyl-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-N-methyl-N-(2-methylpropyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methyl-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-indan-2-yl-4-piperidyl)-N-isobutyl-N-methyl-piperidin-1-ium-3-carboxamide Formula: C25H40N3O+ MolecularWeight: 398.6046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C(=O)C1CCC[NH+](C1)C2CCN(CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CN(C)C(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C25H39N3O/c1-19(2)17-26(3)25(29)22-9-6-12-28(18-22)23-10-13-27(14-11-23)24-15-20-7-4-5-8-21(20)16-24/h4-5,7-8,19,22-24H,6,9-18H2,1-3H3/p+1/t22-/m0/s1