7-methyl-2-(4-propanoyl-1,4-diazepan-1-yl)quinolin-1-ium-3-carbonitrile

Systemtic Name: 7-methyl-2-(4-propanoyl-1,4-diazepan-1-yl)quinolin-1-ium-3-carbonitrile Openeye Name: 7-methyl-2-(4-propanoyl-1,4-diazepan-1-yl)quinolin-1-ium-3-carbonitrile CAS Name: 7-methyl-2-[4-(1-oxopropyl)-1,4-diazepan-1-yl]-3-quinolin-1-iumcarbonitrile IUPAC Name: 7-methyl-2-(4-propanoyl-1,4-diazepan-1-yl)quinolin-1-ium-3-carbonitrile Traditional Name: 7-methyl-2-(4-propionyl-1,4-diazepan-1-yl)quinolin-1-ium-3-carbonitrile Formula: C19H23N4O+ MolecularWeight: 323.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)C2=[NH+]C3=C(C=CC(=C3)C)C=C2C#N

Isomeric SMILES

CCC(=O)N1CCCN(CC1)C2=[NH+]C3=C(C=CC(=C3)C)C=C2C#N

InChI

InChI=1S/C19H22N4O/c1-3-18(24)22-7-4-8-23(10-9-22)19-16(13-20)12-15-6-5-14(2)11-17(15)21-19/h5-6,11-12H,3-4,7-10H2,1-2H3/p+1