4-(1-butylindol-1-ium-1-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

Systemtic Name: 4-(1-butylindol-1-ium-1-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one Openeye Name: 4-(1-butylindol-1-ium-1-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one CAS Name: 4-(1-butyl-1-indol-1-iumyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-butanone IUPAC Name: 4-(1-butylindol-1-ium-1-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one Traditional Name: 4-(1-butylindol-1-ium-1-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one Formula: C27H33N2O+ MolecularWeight: 401.56372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=CC2=CC=CC=C21)CCCC(=O)N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CCCC[N+]1(C=CC2=CC=CC=C21)CCCC(=O)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N2O/c1-2-3-20-29(22-17-25-12-7-8-13-26(25)29)21-9-14-27(30)28-18-15-24(16-19-28)23-10-5-4-6-11-23/h4-8,10-13,15,17,22H,2-3,9,14,16,18-21H2,1H3/q+1