[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone

Systemtic Name: [4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone Openeye Name: [4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: [4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-[(2R)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: [4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]-[(2R)-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N3O3S/c1-17-7-8-20(29-2)18(15-17)16-24-10-12-25(13-11-24)22(27)19-5-3-9-26(19)23(28)21-6-4-14-30-21/h4,6-8,14-15,19H,3,5,9-13,16H2,1-2H3/p+1/t19-/m1/s1