7-methyl-2-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]quinolin-1-ium-3-carbonitrile

Systemtic Name: 7-methyl-2-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]quinolin-1-ium-3-carbonitrile Openeye Name: 7-methyl-2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinolin-1-ium-3-carbonitrile CAS Name: 7-methyl-2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-quinolin-1-iumcarbonitrile IUPAC Name: 7-methyl-2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinolin-1-ium-3-carbonitrile Traditional Name: 7-methyl-2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinolin-1-ium-3-carbonitrile Formula: C26H29N4O4+ MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C#N

InChI

InChI=1S/C26H28N4O4/c1-17-6-7-18-13-20(16-27)25(28-21(18)12-17)29-8-5-9-30(11-10-29)26(31)19-14-22(32-2)24(34-4)23(15-19)33-3/h6-7,12-15H,5,8-11H2,1-4H3/p+1