4-[3-(azepan-1-ium-1-ylmethyl)-7-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline

Systemtic Name: 4-[3-(azepan-1-ium-1-ylmethyl)-7-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline Openeye Name: 4-[3-(azepan-1-ium-1-ylmethyl)-7-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline CAS Name: 4-[3-(1-azepan-1-iumylmethyl)-7-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline IUPAC Name: 4-[3-(azepan-1-ium-1-ylmethyl)-7-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]aniline Traditional Name: [4-[3-(azepan-1-ium-1-ylmethyl)-7-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=CC2=[N+](C=C1)C(=C(N2)C3=CC=C(C=C3)N)C[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=C(N2)C3=CC=C(C=C3)N)C[NH+]4CCCCCC4

InChI

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