3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine

Systemtic Name: 3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine Openeye Name: 3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine CAS Name: 3-butyl-1-(1H-indol-3-yl)-2-isoquinolin-2-iumamine IUPAC Name: 3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine Traditional Name: [3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-yl]amine Formula: C21H22N3+ MolecularWeight: 316.41948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=[N+]1N)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=[N+]1N)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H21N3/c1-2-3-9-16-13-15-8-4-5-10-17(15)21(24(16)22)19-14-23-20-12-7-6-11-18(19)20/h4-8,10-14H,2-3,9,22H2,1H3/p+1