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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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