4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-4-ium-1-carbaldehyde Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCN(CC3)C=O

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCN(CC3)C=O

InChI

InChI=1S/C20H28N4O3S/c1-17(2)28(26,27)20-21-14-19(15-22-10-12-23(16-25)13-11-22)24(20)9-8-18-6-4-3-5-7-18/h3-7,14,16-17H,8-13,15H2,1-2H3/p+1