methyl-[2-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]-2-oxidanylidene-ethyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: methyl-[2-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]-2-oxidanylidene-ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: methyl-[2-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]-2-oxo-ethyl]-(3-pyridylmethyl)ammonium CAS Name: methyl-[2-[methyl-[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]-2-oxoethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: methyl-[2-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]-2-oxoethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [2-keto-2-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]-methyl-(3-pyridylmethyl)ammonium Formula: C23H34N4O+2 MolecularWeight: 382.54226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O/c1-25(17-21-10-6-13-24-16-21)19-23(28)26(2)22-11-7-14-27(18-22)15-12-20-8-4-3-5-9-20/h3-6,8-10,13,16,22H,7,11-12,14-15,17-19H2,1-2H3/p+2/t22-/m0/s1