N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]butanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]butanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]butanamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]butanamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]butanamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]butyramide Formula: C18H28ClN2O+ MolecularWeight: 323.88072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC(C1=CC=CC=C1Cl)[NH+]2CCCCCC2

Isomeric SMILES

CCCC(=O)NC[C@@H](C1=CC=CC=C1Cl)[NH+]2CCCCCC2

InChI

InChI=1S/C18H27ClN2O/c1-2-9-18(22)20-14-17(15-10-5-6-11-16(15)19)21-12-7-3-4-8-13-21/h5-6,10-11,17H,2-4,7-9,12-14H2,1H3,(H,20,22)/p+1/t17-/m0/s1