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

Systemtic Name: 1-[(S)-furan-2-yl-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-2-furyl-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-2-furanyl-(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-furan-2-yl-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-2-furyl-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=CO2)N3CC[NH2+]CC3

Isomeric SMILES

CN1C=CC=C1[C@@H](C2=CC=CO2)N3CC[NH2+]CC3

InChI

InChI=1S/C14H19N3O/c1-16-8-2-4-12(16)14(13-5-3-11-18-13)17-9-6-15-7-10-17/h2-5,8,11,14-15H,6-7,9-10H2,1H3/p+1/t14-/m0/s1