carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydro-1H-quinolin-4-yl)-phenyl-azanium

Systemtic Name: carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydro-1H-quinolin-4-yl)-phenyl-azanium Openeye Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)-phenyl-ammonium CAS Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)-phenylammonium IUPAC Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)-phenylazanium Traditional Name: amidino-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)-phenyl-ammonium Formula: C20H21N6O+ MolecularWeight: 361.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(N1)C=CC(=C2)C#N)[N+](C#N)(C3=CC=CC=C3)C(=N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(N1)C=CC(=C2)C#N)[N+](C#N)(C3=CC=CC=C3)C(=N)N)O)C

InChI

InChI=1S/C20H21N6O/c1-20(2)18(27)17(15-10-13(11-21)8-9-16(15)25-20)26(12-22,19(23)24)14-6-4-3-5-7-14/h3-10,17-18,25,27H,1-2H3,(H3,23,24)/q+1