ethyl 4-(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)piperazine-1-carboxylate CAS Name: 4-[4-cyano-7-methyl-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)piperazine-1-carboxylate Traditional Name: 4-(4-cyano-7-methyl-1-pyrrolidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)piperazine-1-carboxylic acid ethyl ester Formula: C21H32N6O2+2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C(=C3C[NH+](CCC3=C2C#N)C)N4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C(=C3C[NH+](CCC3=C2C#N)C)N4CCCC4

InChI

InChI=1S/C21H30N6O2/c1-3-29-21(28)27-12-10-26(11-13-27)19-17(14-22)16-6-9-24(2)15-18(16)20(23-19)25-7-4-5-8-25/h3-13,15H2,1-2H3/p+2