2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]aniline

Systemtic Name: 2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]aniline Openeye Name: 2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]aniline CAS Name: 2-methyl-4-[4-[3-(1-methyl-1-pyrrolidin-1-iumyl)propyl]-1,4-diazepan-1-yl]aniline IUPAC Name: 2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]aniline Traditional Name: [2-methyl-4-[4-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,4-diazepan-1-yl]phenyl]amine Formula: C20H35N4+ MolecularWeight: 331.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CC2)CCC[N+]3(CCCC3)C)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CC2)CCC[N+]3(CCCC3)C)N

InChI

InChI=1S/C20H35N4/c1-18-17-19(7-8-20(18)21)23-11-5-9-22(12-13-23)10-6-16-24(2)14-3-4-15-24/h7-8,17H,3-6,9-16,21H2,1-2H3/q+1