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

Systemtic Name: N-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-methoxy-benzamide Openeye Name: N-[1-[2-(cyclohexylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-4-methoxy-benzamide CAS Name: N-[1-[2-(cyclohexylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-4-methoxybenzamide IUPAC Name: N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide Traditional Name: N-[1-[2-(cyclohexylamino)-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)NC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3CCCCC3

InChI

InChI=1S/C21H31N3O3/c1-27-19-9-7-16(8-10-19)21(26)23-18-11-13-24(14-12-18)15-20(25)22-17-5-3-2-4-6-17/h7-10,17-18H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)/p+1