1-[(R)-(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(R)-(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(R)-(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(R)-(4-tert-butylphenyl)-(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(R)-(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(R)-(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CN2C)N3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](C2=CC=CN2C)N3CC[NH2+]CC3

InChI

InChI=1S/C20H29N3/c1-20(2,3)17-9-7-16(8-10-17)19(18-6-5-13-22(18)4)23-14-11-21-12-15-23/h5-10,13,19,21H,11-12,14-15H2,1-4H3/p+1/t19-/m1/s1