3-[(S)-(4-methoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-2-methyl-1H-indole

Systemtic Name: 3-[(S)-(4-methoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-2-methyl-1H-indole Openeye Name: 3-[(S)-(4-methoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-2-methyl-1H-indole CAS Name: 3-[(S)-(4-methoxyphenyl)-(1-pyrrolidin-1-iumyl)methyl]-2-methyl-1H-indole IUPAC Name: 3-[(S)-(4-methoxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(S)-(4-methoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]-2-methyl-1H-indole Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C21H24N2O/c1-15-20(18-7-3-4-8-19(18)22-15)21(23-13-5-6-14-23)16-9-11-17(24-2)12-10-16/h3-4,7-12,21-22H,5-6,13-14H2,1-2H3/p+1/t21-/m0/s1