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

Systemtic Name: [3-[[6-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridin-3-yl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[[6-[(3S)-3-ethoxycarbonyl-1-piperidyl]-3-pyridyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[[6-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-3-pyridinyl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[[6-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridin-3-yl]amino]-3-oxopropyl]azanium Traditional Name: [3-[[6-[(3S)-3-carbethoxypiperidino]-3-pyridyl]amino]-3-keto-propyl]ammonium Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3/c1-2-23-16(22)12-4-3-9-20(11-12)14-6-5-13(10-18-14)19-15(21)7-8-17/h5-6,10,12H,2-4,7-9,11,17H2,1H3,(H,19,21)/p+1/t12-/m0/s1