N-[(E)-1-[5-methoxy-3,3-dimethyl-1-(2-phenoxyethyl)indol-1-ium-2-yl]prop-1-en-2-yl]pyridin-3-amine

Systemtic Name: N-[(E)-1-[5-methoxy-3,3-dimethyl-1-(2-phenoxyethyl)indol-1-ium-2-yl]prop-1-en-2-yl]pyridin-3-amine Openeye Name: N-[(E)-2-[5-methoxy-3,3-dimethyl-1-(2-phenoxyethyl)indol-1-ium-2-yl]-1-methyl-vinyl]pyridin-3-amine CAS Name: N-[(E)-1-[5-methoxy-3,3-dimethyl-1-(2-phenoxyethyl)-2-indol-1-iumyl]prop-1-en-2-yl]-3-pyridinamine IUPAC Name: N-[(E)-1-[5-methoxy-3,3-dimethyl-1-(2-phenoxyethyl)indol-1-ium-2-yl]prop-1-en-2-yl]pyridin-3-amine Traditional Name: [(E)-2-[5-methoxy-3,3-dimethyl-1-(2-phenoxyethyl)indol-1-ium-2-yl]-1-methyl-vinyl]-(3-pyridyl)amine Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=C(C1(C)C)C=C(C=C2)OC)CCOC3=CC=CC=C3)NC4=CN=CC=C4

Isomeric SMILES

C/C(=C\C1=[N+](C2=C(C1(C)C)C=C(C=C2)OC)CCOC3=CC=CC=C3)/NC4=CN=CC=C4

InChI

InChI=1S/C27H29N3O2/c1-20(29-21-9-8-14-28-19-21)17-26-27(2,3)24-18-23(31-4)12-13-25(24)30(26)15-16-32-22-10-6-5-7-11-22/h5-14,17-19H,15-16H2,1-4H3/p+1