1-[(4R)-1-(4-methylpentyl)-7-oxidanylidene-azepan-4-yl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4R)-1-(4-methylpentyl)-7-oxidanylidene-azepan-4-yl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4R)-1-isohexyl-7-oxo-azepan-4-yl]-4-(1-piperidyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4R)-1-(4-methylpentyl)-7-oxo-4-azepanyl]-4-(1-piperidinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4R)-1-(4-methylpentyl)-7-oxoazepan-4-yl]-4-piperidin-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(4R)-1-isohexyl-7-keto-azepan-4-yl]-4-piperidino-piperidin-1-ium-4-carboxamide Formula: C23H43N4O2+ MolecularWeight: 407.61312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(CCC1=O)[NH+]2CCC(CC2)(C(=O)N)N3CCCCC3

Isomeric SMILES

CC(C)CCCN1CC[C@@H](CCC1=O)[NH+]2CCC(CC2)(C(=O)N)N3CCCCC3

InChI

InChI=1S/C23H42N4O2/c1-19(2)7-6-13-26-16-10-20(8-9-21(26)28)25-17-11-23(12-18-25,22(24)29)27-14-4-3-5-15-27/h19-20H,3-18H2,1-2H3,(H2,24,29)/p+1/t20-/m1/s1