(2S,4S)-1-[(E)-3-phenylprop-2-enyl]-N-propan-2-yl-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-1-[(E)-3-phenylprop-2-enyl]-N-propan-2-yl-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-1-[(E)-cinnamyl]-N-isopropyl-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-1-[(E)-3-phenylprop-2-enyl]-N-propan-2-yl-4-[(1-propyl-4-piperidin-1-iumyl)amino]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-1-[(E)-3-phenylprop-2-enyl]-N-propan-2-yl-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-1-[(E)-cinnamyl]-N-isopropyl-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Formula: C25H42N4O+2 MolecularWeight: 414.62718

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2CC([NH+](C2)CC=CC3=CC=CC=C3)C(=O)NC(C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)N[C@H]2C[C@H]([NH+](C2)C/C=C/C3=CC=CC=C3)C(=O)NC(C)C

InChI

InChI=1S/C25H40N4O/c1-4-14-28-16-12-22(13-17-28)27-23-18-24(25(30)26-20(2)3)29(19-23)15-8-11-21-9-6-5-7-10-21/h5-11,20,22-24,27H,4,12-19H2,1-3H3,(H,26,30)/p+2/b11-8+/t23-,24-/m0/s1