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

Systemtic Name: N-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-methoxy-benzamide Openeye Name: N-[1-[2-(azepan-1-yl)-2-oxo-ethyl]piperidin-1-ium-4-yl]-4-methoxy-benzamide CAS Name: N-[1-[2-(1-azepanyl)-2-oxoethyl]-4-piperidin-1-iumyl]-4-methoxybenzamide IUPAC Name: N-[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide Traditional Name: N-[1-[2-(azepan-1-yl)-2-keto-ethyl]piperidin-1-ium-4-yl]-4-methoxy-benzamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O3/c1-27-19-8-6-17(7-9-19)21(26)22-18-10-14-23(15-11-18)16-20(25)24-12-4-2-3-5-13-24/h6-9,18H,2-5,10-16H2,1H3,(H,22,26)/p+1