ethyl 6-[4-[3-(cyclohexylamino)-3-oxidanylidene-propyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[3-(cyclohexylamino)-3-oxidanylidene-propyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[3-(cyclohexylamino)-3-oxo-propyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[3-(cyclohexylamino)-3-oxopropyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[3-(cyclohexylamino)-3-oxopropyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-(cyclohexylamino)-3-keto-propyl]piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3CCCCC3

InChI

InChI=1S/C21H32N4O3/c1-2-28-21(27)17-8-9-19(22-16-17)25-14-12-24(13-15-25)11-10-20(26)23-18-6-4-3-5-7-18/h8-9,16,18H,2-7,10-15H2,1H3,(H,23,26)/p+1