trimethyl-[4-[2-[4-(5-nitroindol-1-yl)butoxy]-2-oxidanylidene-ethyl]phenyl]azanium

Systemtic Name: trimethyl-[4-[2-[4-(5-nitroindol-1-yl)butoxy]-2-oxidanylidene-ethyl]phenyl]azanium Openeye Name: trimethyl-[4-[2-[4-(5-nitroindol-1-yl)butoxy]-2-oxo-ethyl]phenyl]ammonium CAS Name: trimethyl-[4-[2-[4-(5-nitro-1-indolyl)butoxy]-2-oxoethyl]phenyl]ammonium IUPAC Name: trimethyl-[4-[2-[4-(5-nitroindol-1-yl)butoxy]-2-oxoethyl]phenyl]azanium Traditional Name: [4-[2-keto-2-[4-(5-nitroindol-1-yl)butoxy]ethyl]phenyl]-trimethyl-ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N3O4/c1-26(2,3)21-9-6-18(7-10-21)16-23(27)30-15-5-4-13-24-14-12-19-17-20(25(28)29)8-11-22(19)24/h6-12,14,17H,4-5,13,15-16H2,1-3H3/q+1