1-[(S)-(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(3,4-dimethoxyphenyl)-(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(3,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-20-10-4-5-15(20)18(21-11-8-19-9-12-21)14-6-7-16(22-2)17(13-14)23-3/h4-7,10,13,18-19H,8-9,11-12H2,1-3H3/p+1/t18-/m0/s1