N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazin-2-yl-propanamide

Systemtic Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazin-2-yl-propanamide Openeye Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazin-2-yl-propanamide CAS Name: N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-(2-pyrazinyl)propanamide IUPAC Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazin-2-ylpropanamide Traditional Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazin-2-yl-propionamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCC3=NC=CN=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C21H28N4O/c26-21(11-10-19-16-22-12-13-23-19)24-20-9-5-15-25(17-20)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,12-13,16,20H,4-5,8-11,14-15,17H2,(H,24,26)/p+1/t20-/m0/s1