1-[(S)-(2-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(2-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-(2-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(2-methoxyphenyl)-(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(2-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(2-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C17H24N3O+ MolecularWeight: 286.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=CC=C2OC)N3CC[NH2+]CC3

Isomeric SMILES

CN1C=CC=C1[C@H](C2=CC=CC=C2OC)N3CC[NH2+]CC3

InChI

InChI=1S/C17H23N3O/c1-19-11-5-7-15(19)17(20-12-9-18-10-13-20)14-6-3-4-8-16(14)21-2/h3-8,11,17-18H,9-10,12-13H2,1-2H3/p+1/t17-/m0/s1