2-[4-(2,6-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(2,6-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinolin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-7,8-dimethyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-[4-[(2,6-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-7,8-dimethyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-7,8-dimethylquinolin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-7,8-dimethyl-quinolin-1-ium-3-carbonitrile Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=O)C4=C(C=CC=C4OC)OC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=O)C4=C(C=CC=C4OC)OC)C#N)C

InChI

InChI=1S/C26H28N4O3/c1-17-9-10-19-15-20(16-27)25(28-24(19)18(17)2)29-11-6-12-30(14-13-29)26(31)23-21(32-3)7-5-8-22(23)33-4/h5,7-10,15H,6,11-14H2,1-4H3/p+1