1-[(S)-(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(1-methyl-2-pyrrolyl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-21-9-5-6-15(21)18(22-10-7-20-8-11-22)14-12-16(23-2)19(25-4)17(13-14)24-3/h5-6,9,12-13,18,20H,7-8,10-11H2,1-4H3/p+1/t18-/m0/s1