3-[(S)-(4-tert-butylphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole

Systemtic Name: 3-[(S)-(4-tert-butylphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Openeye Name: 3-[(S)-(4-tert-butylphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole CAS Name: 3-[(S)-(4-tert-butylphenyl)-(1-piperazin-4-iumyl)methyl]-1H-indole IUPAC Name: 3-[(S)-(4-tert-butylphenyl)-piperazin-4-ium-1-ylmethyl]-1H-indole Traditional Name: 3-[(S)-(4-tert-butylphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Formula: C23H30N3+ MolecularWeight: 348.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)N4CC[NH2+]CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](C2=CNC3=CC=CC=C32)N4CC[NH2+]CC4

InChI

InChI=1S/C23H29N3/c1-23(2,3)18-10-8-17(9-11-18)22(26-14-12-24-13-15-26)20-16-25-21-7-5-4-6-19(20)21/h4-11,16,22,24-25H,12-15H2,1-3H3/p+1/t22-/m0/s1