(1-ethoxycarbonylpiperidin-4-yl)-[[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-4-yl)pyrrolidin-3-yl]methyl]azanium

Systemtic Name: (1-ethoxycarbonylpiperidin-4-yl)-[[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-4-yl)pyrrolidin-3-yl]methyl]azanium Openeye Name: (1-ethoxycarbonyl-4-piperidyl)-[[(3R)-1-(1-methyl-6-oxo-pyridazin-4-yl)pyrrolidin-3-yl]methyl]ammonium CAS Name: (1-ethoxycarbonyl-4-piperidinyl)-[[(3R)-1-(1-methyl-6-oxo-4-pyridazinyl)-3-pyrrolidinyl]methyl]ammonium IUPAC Name: (1-ethoxycarbonylpiperidin-4-yl)-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[[(3R)-1-(6-keto-1-methyl-pyridazin-4-yl)pyrrolidin-3-yl]methyl]ammonium Formula: C18H30N5O3+ MolecularWeight: 364.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]CC2CCN(C2)C3=CC(=O)N(N=C3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]C[C@H]2CCN(C2)C3=CC(=O)N(N=C3)C

InChI

InChI=1S/C18H29N5O3/c1-3-26-18(25)22-8-5-15(6-9-22)19-11-14-4-7-23(13-14)16-10-17(24)21(2)20-12-16/h10,12,14-15,19H,3-9,11,13H2,1-2H3/p+1/t14-/m1/s1