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

Systemtic Name: 3-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-2-methyl-1H-indole Openeye Name: 3-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-2-methyl-1H-indole CAS Name: 3-[(S)-(4-methoxyphenyl)-(1-piperidin-1-iumyl)methyl]-2-methyl-1H-indole IUPAC Name: 3-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-2-methyl-1H-indole Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C22H26N2O/c1-16-21(19-8-4-5-9-20(19)23-16)22(24-14-6-3-7-15-24)17-10-12-18(25-2)13-11-17/h4-5,8-13,22-23H,3,6-7,14-15H2,1-2H3/p+1/t22-/m0/s1