(2S,4S)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-(pyridin-4-ylmethylamino)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-(pyridin-4-ylmethylamino)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-N-isopropyl-1-(1-naphthylmethyl)-4-(4-pyridylmethylamino)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-1-(1-naphthalenylmethyl)-N-propan-2-yl-4-(pyridin-4-ylmethylamino)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-(pyridin-4-ylmethylamino)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-N-isopropyl-1-(1-naphthylmethyl)-4-(4-pyridylmethylamino)pyrrolidin-1-ium-2-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=CC=CC3=CC=CC=C32)NCC4=CC=NC=C4

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC=CC3=CC=CC=C32)NCC4=CC=NC=C4

InChI

InChI=1S/C25H30N4O/c1-18(2)28-25(30)24-14-22(27-15-19-10-12-26-13-11-19)17-29(24)16-21-8-5-7-20-6-3-4-9-23(20)21/h3-13,18,22,24,27H,14-17H2,1-2H3,(H,28,30)/p+1/t22-,24-/m0/s1