N-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide

Systemtic Name: N-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Openeye Name: N-[1-[2-(azepan-1-yl)-2-oxo-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide CAS Name: N-[1-[2-(1-azepanyl)-2-oxoethyl]-4-piperidin-1-iumyl]-2-methylbenzamide IUPAC Name: N-[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide Traditional Name: N-[1-[2-(azepan-1-yl)-2-keto-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O2/c1-17-8-4-5-9-19(17)21(26)22-18-10-14-23(15-11-18)16-20(25)24-12-6-2-3-7-13-24/h4-5,8-9,18H,2-3,6-7,10-16H2,1H3,(H,22,26)/p+1