4-[3-(azepan-1-ium-1-ylmethyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline

Systemtic Name: 4-[3-(azepan-1-ium-1-ylmethyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline Openeye Name: 4-[3-(azepan-1-ium-1-ylmethyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline CAS Name: 4-[3-(1-azepan-1-iumylmethyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline IUPAC Name: 4-[3-(azepan-1-ium-1-ylmethyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline Traditional Name: [4-[3-(azepan-1-ium-1-ylmethyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]phenyl]amine Formula: C21H28N4+2 MolecularWeight: 336.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C([N+]2=CC=C1)C[NH+]3CCCCCC3)C4=CC=C(C=C4)N

Isomeric SMILES

CC1=C2NC(=C([N+]2=CC=C1)C[NH+]3CCCCCC3)C4=CC=C(C=C4)N

InChI

InChI=1S/C21H26N4/c1-16-7-6-14-25-19(15-24-12-4-2-3-5-13-24)20(23-21(16)25)17-8-10-18(22)11-9-17/h6-11,14H,2-5,12-13,15,22H2,1H3/p+2