[2-[(3S)-3-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [2-[(3S)-3-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [2-[(3S)-3-(4-ethoxycarbonylpiperazin-1-yl)-1-piperidyl]-2-oxo-ethyl]-methyl-(4-pyridylmethyl)ammonium CAS Name: [2-[(3S)-3-(4-ethoxycarbonyl-1-piperazinyl)-1-piperidinyl]-2-oxoethyl]-methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2-[(3S)-3-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]-methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [2-[(3S)-3-(4-carbethoxypiperazino)piperidino]-2-keto-ethyl]-methyl-(4-pyridylmethyl)ammonium Formula: C21H34N5O3+ MolecularWeight: 404.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C[NH+](C)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)C(=O)C[NH+](C)CC3=CC=NC=C3

InChI

InChI=1S/C21H33N5O3/c1-3-29-21(28)25-13-11-24(12-14-25)19-5-4-10-26(16-19)20(27)17-23(2)15-18-6-8-22-9-7-18/h6-9,19H,3-5,10-17H2,1-2H3/p+1/t19-/m0/s1