methyl-(1-methylpiperidin-4-yl)-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-4-yl)-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Openeye Name: methyl-(1-methyl-4-piperidyl)-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]ammonium CAS Name: methyl-(1-methyl-4-piperidinyl)-[(1S)-2-oxo-2-(1-piperazinyl)-1-(1H-pyrrol-2-yl)ethyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-4-yl)-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Traditional Name: [(1S)-2-keto-2-piperazino-1-(1H-pyrrol-2-yl)ethyl]-methyl-(1-methyl-4-piperidyl)ammonium Formula: C17H30N5O+ MolecularWeight: 320.453

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+](C)C(C2=CC=CN2)C(=O)N3CCNCC3

Isomeric SMILES

CN1CCC(CC1)[NH+](C)[C@@H](C2=CC=CN2)C(=O)N3CCNCC3

InChI

InChI=1S/C17H29N5O/c1-20-10-5-14(6-11-20)21(2)16(15-4-3-7-19-15)17(23)22-12-8-18-9-13-22/h3-4,7,14,16,18-19H,5-6,8-13H2,1-2H3/p+1/t16-/m0/s1