5-chloranyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-pyrazole-4-carboxamide Formula: C25H30ClN4O2+ MolecularWeight: 453.9843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H29ClN4O2/c1-18-23(24(26)30(28-18)17-19-8-4-3-5-9-19)25(31)27-16-22(29-14-6-7-15-29)20-10-12-21(32-2)13-11-20/h3-5,8-13,22H,6-7,14-17H2,1-2H3,(H,27,31)/p+1/t22-/m1/s1