(2S,4S)-N-methyl-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-1-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-N-methyl-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-1-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-isopropyl-N-methyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-N-methyl-4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-1-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-[(1-benzylpiperidin-1-ium-4-yl)amino]-N-methyl-1-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-isopropyl-N-methyl-pyrrolidin-1-ium-2-carboxamide Formula: C21H36N4O+2 MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(CC1C(=O)NC)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1C[C@H](C[C@H]1C(=O)NC)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H34N4O/c1-16(2)25-15-19(13-20(25)21(26)22-3)23-18-9-11-24(12-10-18)14-17-7-5-4-6-8-17/h4-8,16,18-20,23H,9-15H2,1-3H3,(H,22,26)/p+2/t19-,20-/m0/s1