N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H34N4O/c1-18-22(19(2)26(3)25-18)13-14-23(28)24-21-12-8-16-27(17-21)15-7-11-20-9-5-4-6-10-20/h4-6,9-10,21H,7-8,11-17H2,1-3H3,(H,24,28)/p+1/t21-/m0/s1