3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propan-1-amine bromide

Systemtic Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propan-1-amine bromide Openeye Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propan-1-amine bromide CAS Name: 3-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)-1-propanamine bromide IUPAC Name: 3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propan-1-amine bromide Traditional Name: 3-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)propylamine bromide Formula: C18H23BrN2 MolecularWeight: 347.29262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCN.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCN.[Br-]

InChI

InChI=1S/C18H23N2.BrH/c1-13-18(2,3)17-15-8-5-4-7-14(15)9-10-16(17)20(13)12-6-11-19;/h4-5,7-10H,6,11-12,19H2,1-3H3;1H/q+1;/p-1