4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-(3,4-dimethylbenzyl)-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C20H27N3/c1-16-4-5-18(14-17(16)2)15-22-10-3-11-23(13-12-22)20-8-6-19(21)7-9-20/h4-9,14H,3,10-13,15,21H2,1-2H3/p+1