4-[(E)-2-(5-methoxy-3,3-dimethyl-1-propyl-indol-1-ium-2-yl)ethenyl]-N,N-dipropyl-aniline

Systemtic Name: 4-[(E)-2-(5-methoxy-3,3-dimethyl-1-propyl-indol-1-ium-2-yl)ethenyl]-N,N-dipropyl-aniline Openeye Name: 4-[(E)-2-(5-methoxy-3,3-dimethyl-1-propyl-indol-1-ium-2-yl)vinyl]-N,N-dipropyl-aniline CAS Name: 4-[(E)-2-(5-methoxy-3,3-dimethyl-1-propyl-2-indol-1-iumyl)ethenyl]-N,N-dipropylaniline IUPAC Name: 4-[(E)-2-(5-methoxy-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-N,N-dipropylaniline Traditional Name: [4-[(E)-2-(5-methoxy-3,3-dimethyl-1-propyl-indol-1-ium-2-yl)vinyl]phenyl]-dipropyl-amine Formula: C28H39N2O+ MolecularWeight: 419.62206

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(C2=C1C=CC(=C2)OC)(C)C)C=CC3=CC=C(C=C3)N(CCC)CCC

Isomeric SMILES

CCC[N+]1=C(C(C2=C1C=CC(=C2)OC)(C)C)/C=C/C3=CC=C(C=C3)N(CCC)CCC

InChI

InChI=1S/C28H39N2O/c1-7-18-29(19-8-2)23-13-10-22(11-14-23)12-17-27-28(4,5)25-21-24(31-6)15-16-26(25)30(27)20-9-3/h10-17,21H,7-9,18-20H2,1-6H3/q+1