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

Systemtic Name: 2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-7-methyl-quinolin-1-ium-3-carbonitrile Openeye Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-7-methyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-7-methyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-7-methylquinolin-1-ium-3-carbonitrile Traditional Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-7-methyl-quinolin-1-ium-3-carbonitrile Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=O)C4CCCCC4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=O)C4CCCCC4)C#N

InChI

InChI=1S/C23H28N4O/c1-17-8-9-19-15-20(16-24)22(25-21(19)14-17)26-10-5-11-27(13-12-26)23(28)18-6-3-2-4-7-18/h8-9,14-15,18H,2-7,10-13H2,1H3/p+1