(2S,4R)-N-ethyl-4-[(phenylmethyl)amino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-ethyl-4-[(phenylmethyl)amino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(benzylamino)-N-ethyl-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-ethyl-4-[(phenylmethyl)amino]-1-(1-propyl-4-piperidinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(benzylamino)-N-ethyl-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(benzylamino)-N-ethyl-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide Formula: C22H37N4O+ MolecularWeight: 373.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CC(CC2C(=O)NCC)NCC3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2C[C@@H](C[C@H]2C(=O)NCC)NCC3=CC=CC=C3

InChI

InChI=1S/C22H36N4O/c1-3-12-25-13-10-20(11-14-25)26-17-19(15-21(26)22(27)23-4-2)24-16-18-8-6-5-7-9-18/h5-9,19-21,24H,3-4,10-17H2,1-2H3,(H,23,27)/p+1/t19-,21+/m1/s1