2-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-4-yl-methyl]-1H-indole

Systemtic Name: 2-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-4-yl-methyl]-1H-indole Openeye Name: 2-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(4-pyridyl)methyl]-1H-indole CAS Name: 2-methyl-3-[(S)-(4-methyl-1-piperidin-1-iumyl)-pyridin-4-ylmethyl]-1H-indole IUPAC Name: 2-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-4-ylmethyl]-1H-indole Traditional Name: 2-methyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-(4-pyridyl)methyl]-1H-indole Formula: C21H26N3+ MolecularWeight: 320.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=NC=C2)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CC=NC=C2)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C21H25N3/c1-15-9-13-24(14-10-15)21(17-7-11-22-12-8-17)20-16(2)23-19-6-4-3-5-18(19)20/h3-8,11-12,15,21,23H,9-10,13-14H2,1-2H3/p+1/t21-/m0/s1