5-butyl-2-(pyridin-1-ium-1-ylmethyl)-1H-indole

Systemtic Name: 5-butyl-2-(pyridin-1-ium-1-ylmethyl)-1H-indole Openeye Name: 5-butyl-2-(pyridin-1-ium-1-ylmethyl)-1H-indole CAS Name: 5-butyl-2-(1-pyridin-1-iumylmethyl)-1H-indole IUPAC Name: 5-butyl-2-(pyridin-1-ium-1-ylmethyl)-1H-indole Traditional Name: 5-butyl-2-(pyridin-1-ium-1-ylmethyl)-1H-indole Formula: C18H21N2+ MolecularWeight: 265.37274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2)C[N+]3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2)C[N+]3=CC=CC=C3

InChI

InChI=1S/C18H21N2/c1-2-3-7-15-8-9-18-16(12-15)13-17(19-18)14-20-10-5-4-6-11-20/h4-6,8-13,19H,2-3,7,14H2,1H3/q+1