[(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O3/c1-2-24(13-16-7-9-22-10-8-16)18-4-3-11-25(14-18)21(26)23-17-5-6-19-20(12-17)28-15-27-19/h5-10,12,18H,2-4,11,13-15H2,1H3,(H,23,26)/p+1/t18-/m0/s1