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

Systemtic Name: methyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]-(2-pyridin-4-ylethyl)azanium Openeye Name: methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]-[2-(4-pyridyl)ethyl]ammonium CAS Name: methyl-[(1S)-2-oxo-2-(1-piperazinyl)-1-(1H-pyrrol-2-yl)ethyl]-(2-pyridin-4-ylethyl)ammonium IUPAC Name: methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]-(2-pyridin-4-ylethyl)azanium Traditional Name: [(1S)-2-keto-2-piperazino-1-(1H-pyrrol-2-yl)ethyl]-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=NC=C1)C(C2=CC=CN2)C(=O)N3CCNCC3

Isomeric SMILES

C[NH+](CCC1=CC=NC=C1)[C@@H](C2=CC=CN2)C(=O)N3CCNCC3

InChI

InChI=1S/C18H25N5O/c1-22(12-6-15-4-8-19-9-5-15)17(16-3-2-7-21-16)18(24)23-13-10-20-11-14-23/h2-5,7-9,17,20-21H,6,10-14H2,1H3/p+1/t17-/m0/s1