[4-[(3-hydroxyphenyl)-(2,4,4-trimethylpiperazin-4-ium-1-yl)methyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(3-hydroxyphenyl)-(2,4,4-trimethylpiperazin-4-ium-1-yl)methyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(3-hydroxyphenyl)-(2,4,4-trimethylpiperazin-4-ium-1-yl)methyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(3-hydroxyphenyl)-(2,4,4-trimethyl-1-piperazin-4-iumyl)methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(3-hydroxyphenyl)-(2,4,4-trimethylpiperazin-4-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(3-hydroxyphenyl)-(2,4,4-trimethylpiperazin-4-ium-1-yl)methyl]phenyl]-pyrrolidino-methanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CCN1C(C2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC(=CC=C4)O)(C)C

Isomeric SMILES

CC1C[N+](CCN1C(C2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC(=CC=C4)O)(C)C

InChI

InChI=1S/C25H33N3O2/c1-19-18-28(2,3)16-15-27(19)24(22-7-6-8-23(29)17-22)20-9-11-21(12-10-20)25(30)26-13-4-5-14-26/h6-12,17,19,24H,4-5,13-16,18H2,1-3H3/p+1