[4-[[6-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[(3S)-3-ethoxycarbonyl-1-piperidyl]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-[(3S)-3-carbethoxypiperidino]-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H26N4O3/c1-2-24-17(23)13-5-4-10-21(12-13)15-8-7-14(11-19-15)20-16(22)6-3-9-18/h7-8,11,13H,2-6,9-10,12,18H2,1H3,(H,20,22)/p+1/t13-/m0/s1