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methyl 1-[8-(5-nitroindol-1-yl)octyl]pyridin-1-ium-3-carboxylate

methyl 1-[8-(5-nitroindol-1-yl)octyl]pyridin-1-ium-3-carboxylate

Systemtic Name:methyl 1-[8-(5-nitroindol-1-yl)octyl]pyridin-1-ium-3-carboxylate
Openeye Name:methyl 1-[8-(5-nitroindol-1-yl)octyl]pyridin-1-ium-3-carboxylate
CAS Name:1-[8-(5-nitro-1-indolyl)octyl]-3-pyridin-1-iumcarboxylic acid methyl ester
IUPAC Name:methyl 1-[8-(5-nitroindol-1-yl)octyl]pyridin-1-ium-3-carboxylate
Traditional Name:1-[8-(5-nitroindol-1-yl)octyl]pyridin-1-ium-3-carboxylic acid methyl ester
Formula: C23H28N3O4+
MolecularWeight: 410.48612
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]


InChI

InChI=1S/C23H28N3O4/c1-30-23(27)20-9-8-14-24(18-20)13-6-4-2-3-5-7-15-25-16-12-19-17-21(26(28)29)10-11-22(19)25/h8-12,14,16-18H,2-7,13,15H2,1H3/q+1


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