(3S)-N,N-diethyl-1-[(4S)-1-(3-methylbutyl)-7-oxidanylidene-azepan-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(4S)-1-(3-methylbutyl)-7-oxidanylidene-azepan-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(4S)-1-isopentyl-7-oxo-azepan-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(4S)-1-(3-methylbutyl)-7-oxo-4-azepanyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(4S)-1-(3-methylbutyl)-7-oxoazepan-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(4S)-1-isoamyl-7-keto-azepan-4-yl]piperidin-1-ium-3-carboxamide Formula: C21H40N3O2+ MolecularWeight: 366.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)C2CCC(=O)N(CC2)CCC(C)C

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)[C@H]2CCC(=O)N(CC2)CCC(C)C

InChI

InChI=1S/C21H39N3O2/c1-5-22(6-2)21(26)18-8-7-13-24(16-18)19-9-10-20(25)23(15-12-19)14-11-17(3)4/h17-19H,5-16H2,1-4H3/p+1/t18-,19-/m0/s1