N,N-dimethyl-4-[(E)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-1-enyl]aniline

Systemtic Name: N,N-dimethyl-4-[(E)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-1-enyl]aniline Openeye Name: N,N-dimethyl-4-[(E)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-1-enyl]aniline CAS Name: N,N-dimethyl-4-[(E)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-1-enyl]aniline IUPAC Name: N,N-dimethyl-4-[(E)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-1-enyl]aniline Traditional Name: dimethyl-[4-[(E)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-1-enyl]phenyl]amine Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[NH+]1CCCN(CC1)C/C=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H27N3/c1-18(2)17-9-7-16(8-10-17)6-4-12-20-13-5-11-19(3)14-15-20/h4,6-10H,5,11-15H2,1-3H3/p+1/b6-4+